7-butyl-5-propylnaphthalene-2,3-diol

C17H22O2 — CID 21033341

IUPAC7-butyl-5-propylnaphthalene-2,3-diol
SMILESCCCCc1cc(CCC)c2cc(O)c(O)cc2c1
InChIInChI=1S/C17H22O2/c1-3-5-7-12-8-13(6-4-2)15-11-17(19)16(18)10-14(15)9-12/h8-11,18-19H,3-7H2,1-2H3
InChIKeyNDOHPRWBEYEPFJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.55
Rot. Bonds5

About 7-butyl-5-propylnaphthalene-2,3-diol

7-butyl-5-propylnaphthalene-2,3-diol (PubChem CID 21033341) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-butyl-5-propylnaphthalene-2,3-diol.

Molecular Properties

Compound Name7-butyl-5-propylnaphthalene-2,3-diol
PubChem CID21033341
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name7-butyl-5-propylnaphthalene-2,3-diol
SMILESCCCCc1cc(CCC)c2cc(O)c(O)cc2c1
InChIInChI=1S/C17H22O2/c1-3-5-7-12-8-13(6-4-2)15-11-17(19)16(18)10-14(15)9-12/h8-11,18-19H,3-7H2,1-2H3
InChIKeyNDOHPRWBEYEPFJ-UHFFFAOYSA-N
XLogP4.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;5,7-dipropylnaphthalene-2,3-diol
CID 87911096
2-butyl-4-pentyl-6-propylphenol
CID 66878895
3,5-dibutyl-2-methylphenol
CID 10285910
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
3,5-dibutyl-2-[(2,4-dibutyl-6-hydroxyphenyl)methyl]phenol
CID 86052181
3-butyl-5-propylphenol
CID 69337384
4-butyl-2,6-didodecylphenol
CID 66619638
2-butyl-4-ethyl-6-propylphenol
CID 66988794
3,5-dibutylphenol
CID 15936149
potassium 6,8-dibutylnaphthalene-2-sulfonate
CID 101323922
6,8-dipentylnaphthalene-2-sulfonic acid
CID 101323965
(2,4,6-tributylphenyl)methanol
CID 21099541

Frequently Asked Questions

What is the IUPAC name of 7-butyl-5-propylnaphthalene-2,3-diol?
The IUPAC name of 7-butyl-5-propylnaphthalene-2,3-diol (CID 21033341) is 7-butyl-5-propylnaphthalene-2,3-diol.
What is the SMILES notation for 7-butyl-5-propylnaphthalene-2,3-diol?
The canonical SMILES for 7-butyl-5-propylnaphthalene-2,3-diol is CCCCc1cc(CCC)c2cc(O)c(O)cc2c1.
What is the InChIKey of 7-butyl-5-propylnaphthalene-2,3-diol?
The InChIKey is NDOHPRWBEYEPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-3-5-7-12-8-13(6-4-2)15-11-17(19)16(18)10-14(15)9-12/h8-11,18-19H,3-7H2,1-2H3.
What are the key properties of 7-butyl-5-propylnaphthalene-2,3-diol?
7-butyl-5-propylnaphthalene-2,3-diol has a molecular weight of 258.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-propylnaphthalene-2,3-diol is sourced from PubChem (CID 21033341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).